3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride

C15H35ClN4+2 — CID 118107500

IUPAC3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride
SMILESCC[N+](=C=[N+](CC)CCCN(C)C)CCCN(C)C.Cl
InChIInChI=1S/C15H34N4.ClH/c1-7-18(13-9-11-16(3)4)15-19(8-2)14-10-12-17(5)6;/h7-14H2,1-6H3;1H/q+2;
InChIKeyOFJYCKWBFCKLBX-UHFFFAOYSA-N
MW306.93 g/mol
LogP1.55
Rot. Bonds10

About 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride

3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride (PubChem CID 118107500) has the molecular formula C15H35ClN4+2 and a molecular weight of 306.93 g/mol. Its IUPAC name is 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride
PubChem CID118107500
Molecular FormulaC15H35ClN4+2
Molecular Weight306.93 g/mol
Exact Mass306.25
IUPAC Name3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride
SMILESCC[N+](=C=[N+](CC)CCCN(C)C)CCCN(C)C.Cl
InChIInChI=1S/C15H34N4.ClH/c1-7-18(13-9-11-16(3)4)15-19(8-2)14-10-12-17(5)6;/h7-14H2,1-6H3;1H/q+2;
InChIKeyOFJYCKWBFCKLBX-UHFFFAOYSA-N
XLogP1.55
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.93
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride?
The IUPAC name of 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride (CID 118107500) is 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride is CC[N+](=C=[N+](CC)CCCN(C)C)CCCN(C)C.Cl.
What is the InChIKey of 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride?
The InChIKey is OFJYCKWBFCKLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4.ClH/c1-7-18(13-9-11-16(3)4)15-19(8-2)14-10-12-17(5)6;/h7-14H2,1-6H3;1H/q+2;.
What are the key properties of 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride?
3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride has a molecular weight of 306.93 g/mol, XLogP of 1.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl-[[3-(dimethylamino)propyl-ethylazaniumylidene]methylidene]-ethylazanium;hydrochloride is sourced from PubChem (CID 118107500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).